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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:shidasterone
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Accession:CHEBI:26661 term browser browse the term
Definition:A 2beta-hydroxy steroid that has formula C27H42O6.
Synonyms:exact_synonym: 2beta,3beta,14,20-tetrahydroxy-22,25-epoxy-5beta-cholest-7-en-6-one
 related_synonym: 22,25-Oxido-5beta-cholest-7-en-6-one-2beta,3beta,14alpha,20-tetrol;   Formula=C27H42O6;   InChI=1S/C27H42O6/c1-23(2)9-8-22(33-23)26(5,31)21-7-11-27(32)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-32H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22?,24+,25+,26+,27+/m0/s1;   InChIKey=JWXMXJQGIRXWDG-SASGHFKCSA-N;   SMILES=[H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)[C@@H](O)C[C@]21C)[C@@](C)(O)C1CCC(C)(C)O1
 xref: CAS:26361-67-1


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  CHEBI ontology 19781
    chemical entity 19781
      molecular entity 19779
        polyatomic entity 19698
          heteroatomic molecular entity 19629
            hydroxides 19087
              organic hydroxy compound 18659
                hydroxy steroid 12649
                  20-hydroxy steroid 49
                    shidasterone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    p-block element atom 19669
                      carbon group element atom 19588
                        carbon atom 19578
                          organic molecular entity 19578
                            organic group 18620
                              organic divalent group 18611
                                organodiyl group 18611
                                  carbonyl group 18526
                                    carbonyl compound 18526
                                      ketone 16828
                                        oxo steroid 9719
                                          6-oxo steroid 19
                                            shidasterone 0
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